SCHEMBL9368933

SCHEMBL9368933

CCNC(=O)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63
BAZ2B Q9UIF8 1/20 0.63
HTT P42858 1/20 0.62
CYP4Z1 Q86W10 1/20 0.59
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ADH5 P11766 1/20 0.56
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
KMT2A Q03164 1/20 0.53
GFER P55789 1/20 0.53
LMNA P02545 1/20 0.52
MAOB P27338 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ADRB1 P08588 2/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4674989 0.89 CYP3A4 (0.60) CYP3A4BAZ2BHTTCYP4Z1MAPT
SCHEMBL7126453 0.87 MAPT (0.54) CYP3A4BAZ2BHTTCYP4Z1MAPT
SCHEMBL7068530 0.84 NAAA (0.63) CYP3A4BAZ2BHTTCYP4Z1L3MBTL1
SCHEMBL9363661 0.84 ALDH1A1 (0.58) CYP3A4BAZ2BHTTCYP4Z1MAPT
SCHEMBL10960777 0.83 CYP3A4 (0.64) CYP3A4BAZ2BHTTCYP4Z1MAPT
Hydrochloric Acid SCHEMBL9363955 0.83 BLM (0.59) CYP3A4BAZ2BHTTCYP4Z1MAPT
SCHEMBL8781065 0.83 CYP4Z1 (0.57) CYP3A4BAZ2BHTTCYP4Z1MAPT
SCHEMBL9363630 0.82 DRD3 (0.55) CYP3A4BAZ2BHTTCYP4Z1LMNA
Hydrochloric Acid SCHEMBL8781047 0.82 CYP4Z1 (0.56) CYP3A4BAZ2BHTTCYP4Z1MAPT
SCHEMBL7072586 0.82 TBXAS1 (0.52) HTTCYP4Z1MAPTL3MBTL1ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290377-B1 Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents SCHERING AG (DE) 1994-03-02 EP disclosed
EP-0290377-A1 Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents SCHERING AKTIENGESELLSCHAFT (DE) 1988-11-09 EP disclosed